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2011
Chau, C.D., Sevink, G.J.A., Fraaije, J. , Stochastic quasi-Newton method: Application to minimal model for proteins, Physical Review E, vol. 83, no. 1. DOI
Handgraaf, J.W., Gracia, R.S., Nath, S.K., Chen, Z., Chou, S.H., Ross, R.B., Schultz, N.E., Fraaije, J. , A Multiscale Modeling Protocol To Generate Realistic Polymer Surfaces, Macromolecules, vol. 44, no. 4, pp. 1053-1061. DOI
Fraaije, J., Nath, S.K., Remerie, K., Groenewold, J. , Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers, Macromolecular Theory and Simulations, vol. 20, no. 2, pp. 133-145. DOI
2010
Robson Marsden, H., Fraaije, J.G.E.M., Kros, A. , Introducing Quadrupole Interactions to the Peptide Design Toolkit, Angewandte Chemie-International Edition, vol. 49, pp. 8570-8572. DOI
Chau, C.D., Fraaije, J. , Stochastic quasi-Newton molecular simulations, Phys. Rev. E , vol. 82.
2009
Scocchi, G., Posocco, P., Handgraaf, J.W., Fraaije, J.G.E.M., Fermeglia, M., Pricl, S. , A Complete Multiscale Modelling Approach for Polymer-Clay Nanocomposites, CHEMISTRY-A EUROPEAN JOURNAL, vol. 15, issue 31, pp. 7586-7592. DOI
2008
Chau, C.D., Sevink, G.J.A., Fraaije, J.G.E.M. , Improved configuration space sampling: Langevin dynamics with alternative mobility, Journal of Chemical Physics, vol. 128, no. 24, pp. -. DOI
2007
Pricl, S., Posocco, P., Fermeglia, M., Scocchi, G., Danani, A., Handgraaf, J.W., Fraaije, H.G.E.M. , The dark side of the moon: A multiscale approach to self-assembly of dendrimers for cancer therapy., Molecular Cancer Therapeutics, vol. 6, no. 12, pp. 3559S-3559S.
2006
Kyrylyuk, A.V., Fraaije, J.G.E.M. , Electric field versus surface alignment in confined films of a diblock copolymer melt, Journal of Chemical Physics, vol. 125, no. 16, pp. -. DOI
2005
Kyrylyuk, A.V., Fraaije, J.G.E.M. , Three-dimensional structure and motion of twist grain boundaries in block copolymer melts, Macromolecules, vol. 38, no. 20, pp. 8546-8553. DOI
Kyrylyuk, A.V., Case, F.H., Fraaije, J.G.E.M. , Property prediction and hybrid modeling for combinatorial materials, Qsar & Combinatorial Science, vol. 24, no. 1, pp. 131-137. DOI
Fraaije, J.G.E.M., van Sluis, C.A., Kros, A., Zvelindovsky, A.V., Sevink, G.J.A. , Design of chimaeric polymersomes, Faraday Discussions, vol. 128, pp. 355-361. DOI
2004
Hamm, M., Goldbeck-Wood, G., Zvelindovsky, A.V., Fraaije, J.G.E.M. , Nematic-amorphous polymer interfaces in the presence of a compatibilizer, Journal of Chemical Physics, vol. 121, no. 9, pp. 4430-4440. DOI
Kyrylyuk, A.V., Fraaije, J.G.E.M. , Structure formation in films of weakly charged block polyelectrolyte solutions, Journal of Chemical Physics, vol. 121, no. 18, pp. 9166-9171. DOI
Kyrylyuk, A.V., Fraaije, J.G.E.M. , Microphase separation of weakly charged block polyelectrolyte solutions: Donnan theory for dynamic polymer morphologies, Journal of Chemical Physics, vol. 121, no. 6, pp. 2806-2812. DOI
Fraaije, J.G.E.M., Zvelindovsky, A.V., Sevink, G.J.A. , Computational soft nanotechnology with mesodyn, Molecular Simulation, vol. 30, no. 4, pp. 225-238. DOI
2003
Fraaije, J.G.E.M., Sevink, G.J.A. , Model for pattern formation in polymer surfactant nanodroplets, Macromolecules, vol. 36, no. 21, pp. 7891-7893. DOI
Lyakhova, K.S., Zvelindovsky, A.V., Sevink, G.J.A., Fraaije, J.G.E.M. , Inverse mapping of block copolymer morphologies, Journal of Chemical Physics, vol. 118, no. 18, pp. 8456-8459. DOI
Hamm, M., Goldbeck-Wood, G., Zvelindovsky, A.V., Fraaije, J.G.E.M. , Microstructure of nematic amorphous block copolymers: Dependence on the nematic volume fraction, Journal of Chemical Physics, vol. 118, no. 20, pp. 9401-9419. DOI
Kyrylyuk, A.V., Sevink, G.J.A., Zvelindovsky, A.V., Fraaije, J.G.E.M. , Simulations of electric field induced lamellar alignment in block copolymers in the presence of selective electrodes, Macromolecular Theory and Simulations, vol. 12, no. 7, pp. 508-511. DOI
Sevink, G.J.A., Zvelindovsky, A.V., Fraaije, J.G.E.M. , Dynamics of phase separation in polymeric systems, Mesoscale Phenomena in Fluid Systems, vol. 861, pp. 258-278.
2002
Ehrenfreund, P., Irvine, W., Becker, L., Blank, J., Brucato, J.R., Colangeli, L., Derenne, S., Despois, D., Dutrey, A., Fraaije, H., Lazcano, A., Owen, T., Robert, F., Team, I.S.S.I.I. , Astrophysical and astrochemical insights into the origin of life, Reports on Progress in Physics, vol. 65, no. 10, pp. 1427-1487. DOI
Morozov, A.N., Fraaije, J.G.E.M. , Orientations of the lamellar phase of block copolymer melts under oscillatory shear flow, Physical Review E, vol. 65, no. 3, pp. -. DOI
Sevink, G.J.A., Fraaije, J.G.E.M., Huinink, H.P. , Structure of aqueous pluronics films: Dynamics of surface directed mesophase formation, Macromolecules, vol. 35, no. 5, pp. 1848-1859. DOI
Ren, S.R., Hamley, I.W., Sevink, G.J.A., Zvelindovsky, A.V., Fraaije, J.G.E.M. , Mesoscopic simulations of lamellar orientation in block copolymers, Macromolecular Theory and Simulations, vol. 11, no. 2, pp. 123-127.
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